PDB: 957 resultsInfo pagesStatus searchChemie searchBIRD

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4RH9	Crystal structure of PTPN3 (PTPH1) H812F, M883G mutant in complex with Eps15 pTyr849 peptide Descriptor: Epidermal growth factor receptor substrate 15, Tyrosine-protein phosphatase non-receptor type 3 Authors: Chen, K.-E, Meng, T.C, Wang, A.H.-J. Deposit date: 2014-10-01 Release date: 2015-03-11 Last modified: 2023-12-06 Method: X-RAY DIFFRACTION (1.598 Å) Cite: Substrate specificity and plasticity of FERM-containing protein tyrosine phosphatases. Structure, 23, 2015
4RH5	Crystal structure of PTPN3 (PTPH1) in complex with Eps15 pTyr849 peptide Descriptor: Epidermal growth factor receptor substrate 15, Tyrosine-protein phosphatase non-receptor type 3 Authors: Chen, K.-E, Meng, T.C, Wang, A.H.-J. Deposit date: 2014-10-01 Release date: 2015-03-11 Last modified: 2023-12-06 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Substrate specificity and plasticity of FERM-containing protein tyrosine phosphatases. Structure, 23, 2015
4R3C	Crystal structure of p38 alpha MAP kinase in complex with a novel isoform selective drug candidate Descriptor: 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, 6-(4-methylpiperazin-1-yl)-3-(naphthalen-2-yl)-4-(pyridin-4-yl)pyridazine, CHLORIDE ION, ... Authors: Grum-Tokars, V.L, Minasov, G, Roy, S.M, Anderson, W.F, Watterson, D.M. Deposit date: 2014-08-14 Release date: 2015-02-25 Last modified: 2017-11-22 Method: X-RAY DIFFRACTION (2.06 Å) Cite: Targeting human central nervous system protein kinases: An isoform selective p38 alpha MAPK inhibitor that attenuates disease progression in Alzheimer's disease mouse models. ACS Chem Neurosci, 6, 2015
4QYY	Discovery of Novel, Dual Mechanism ERK Inhibitors by Affinity Selection Screening of an Inactive Kinase State Descriptor: (3R)-1-{2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl}-N-(3-chloro-4-hydroxyphenyl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION Authors: Deng, Y, Shipps, G.W, Cooper, A, English, J.M, Annis, D.A, Carr, D, Nan, Y, Wang, T, Zhu, Y.H, Chuang, C, Dayananth, P, Hruza, A.W, Xiao, L, Jin, W, Kirschmeier, P, Windsor, W.T, Samatar, A.A. Deposit date: 2014-07-26 Release date: 2014-11-12 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Discovery of Novel, Dual Mechanism ERK Inhibitors by Affinity Selection Screening of an Inactive Kinase. J.Med.Chem., 57, 2014
4QUN	Crystal structure of the PTPN3 (PTPH1) catalytic domain C842S mutant Descriptor: GLYCEROL, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 3 Authors: Chen, K.E, Meng, T.C, Wang, A.H.J. Deposit date: 2014-07-11 Release date: 2014-12-10 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.86 Å) Cite: Reciprocal allosteric regulation of p38 gamma and PTPN3 involves a PDZ domain-modulated complex formation. Sci.Signal., 7, 2014
4QUM	Crystal structure of PTPN3 (PTPH1) in complex with a dually phosphorylated MAPK12 peptide Descriptor: Mitogen-activated protein kinase 12, Tyrosine-protein phosphatase non-receptor type 3 Authors: Chen, K.E, Meng, T.C, Wang, A.H.J. Deposit date: 2014-07-10 Release date: 2014-12-10 Last modified: 2023-12-06 Method: X-RAY DIFFRACTION (2.516 Å) Cite: Reciprocal allosteric regulation of p38 gamma and PTPN3 involves a PDZ domain-modulated complex formation. Sci.Signal., 7, 2014
4QTE	Structure of ERK2 in complex with VTX-11e, 4-{2-[(2-CHLORO-4-FLUOROPHENYL)AMINO]-5-METHYLPYRIMIDIN-4-YL}-N-[(1S)-1-(3-CHLOROPHENYL)-2-HYDROXYETHYL]-1H-PYRROLE-2-CARBOXAMIDE Descriptor: 1,2-ETHANEDIOL, 4-{2-[(2-chloro-4-fluorophenyl)amino]-5-methylpyrimidin-4-yl}-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide, CHLORIDE ION, ... Authors: Chaikuad, A, Savitsky, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) Deposit date: 2014-07-07 Release date: 2014-07-23 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.5 Å) Cite: A unique inhibitor binding site in ERK1/2 is associated with slow binding kinetics. Nat.Chem.Biol., 10, 2014
4QTA	Structure of human ERK2 in complex with SCH772984 revealing a novel inhibitor-induced binding pocket Descriptor: (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide, 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, ... Authors: Chaikuad, A, Savitsky, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) Deposit date: 2014-07-07 Release date: 2014-07-23 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.45 Å) Cite: A unique inhibitor binding site in ERK1/2 is associated with slow binding kinetics. Nat.Chem.Biol., 10, 2014
4QPA	Crystal Structure of ERK2 in complex with 7-(1-benzyl-1H-pyrazol-4-yl)-2-(pyridin-4-yl)-5H-pyrrolo[2,3-b]pyrazine Descriptor: 7-(1-benzyl-1H-pyrazol-4-yl)-2-(pyridin-4-yl)-5H-pyrrolo[2,3-b]pyrazine, Mitogen-activated protein kinase 1 Authors: Yin, J, Wang, W. Deposit date: 2014-06-22 Release date: 2015-09-23 Last modified: 2015-12-16 Method: X-RAY DIFFRACTION (2.85 Å) Cite: Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
4QP9	Crystal Structure of ERK2 in complex with 7-(1-propyl-1H-pyrazol-4-yl)-2-(pyridin-4-yl)-5H-pyrrolo[2,3-b]pyrazine Descriptor: 7-(1-propyl-1H-pyrazol-4-yl)-2-(pyridin-4-yl)-5H-pyrrolo[2,3-b]pyrazine, Mitogen-activated protein kinase 1 Authors: Yin, J, Wang, W. Deposit date: 2014-06-22 Release date: 2015-09-23 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.001 Å) Cite: Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
4QP8	Crystal Structure of ERK2 in complex with 2-(1H-pyrazol-4-yl)-7-(pyridin-3-yl)-5H-pyrrolo[2,3-b]pyrazine Descriptor: 2-(1H-pyrazol-4-yl)-7-(pyridin-3-yl)-5H-pyrrolo[2,3-b]pyrazine, Mitogen-activated protein kinase 1 Authors: Yin, J, Wang, W. Deposit date: 2014-06-22 Release date: 2015-09-23 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.446 Å) Cite: Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
4QP7	Crystal Structure of ERK2 in complex with 2-(1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine Descriptor: 2-(1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine, Mitogen-activated protein kinase 1 Authors: Yin, J, Wang, W. Deposit date: 2014-06-22 Release date: 2015-09-23 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.249 Å) Cite: Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
4QP6	Crystal Structure of ERK2 in complex with 5H-pyrrolo[2,3-b]pyrazine Descriptor: 5H-pyrrolo[2,3-b]pyrazine, IMIDAZOLE, Mitogen-activated protein kinase 1 Authors: Yin, J, Wang, W. Deposit date: 2014-06-22 Release date: 2015-09-23 Last modified: 2015-12-16 Method: X-RAY DIFFRACTION (3.1 Å) Cite: Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
4QP4	Crystal Structure of ERK2 in complex with N-cyclohexyl-9H-purin-6-amine Descriptor: Mitogen-activated protein kinase 1, N-cyclohexyl-9H-purin-6-amine Authors: Yin, J, Wang, W. Deposit date: 2014-06-22 Release date: 2015-09-23 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
4QP3	Crystal Structure of ERK2 in complex with (S)-2-((9H-purin-6-yl)amino)-3-phenylpropan-1-ol Descriptor: (2S)-3-phenyl-2-(9H-purin-6-ylamino)propan-1-ol, Mitogen-activated protein kinase 1 Authors: Yin, J, Wang, W. Deposit date: 2014-06-22 Release date: 2015-09-23 Last modified: 2015-12-16 Method: X-RAY DIFFRACTION (2.599 Å) Cite: Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
4QP2	Crystal Structure of ERKs in complex with 5-chlorobenzo[d]oxazol-2-amine Descriptor: 5-chloro-1,3-benzoxazol-2-amine, IMIDAZOLE, Mitogen-activated protein kinase 1 Authors: Yin, J, Wang, W. Deposit date: 2014-06-22 Release date: 2015-09-23 Last modified: 2015-12-16 Method: X-RAY DIFFRACTION (2.23 Å) Cite: Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
4QP1	Crystal structure of ERK2 in complex with N-cyclohexyl-9H-purin-6-amine Descriptor: IMIDAZOLE, Mitogen-activated protein kinase 1, N-BENZYL-9H-PURIN-6-AMINE Authors: Yin, J, Wang, W. Deposit date: 2014-06-22 Release date: 2015-09-23 Last modified: 2015-12-16 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
4QNB	Disulfide stabilized HIV-1 CA hexamer in complex with PHENYL-L-PHENYLALANINAMIDE inhibitor Descriptor: CAPSID PROTEIN P24, N-METHYL-NALPHA-[(2-METHYL-1H-INDOL-3-YL)ACETYL]-N-PHENYL-L-PHENYLALANINAMIDE Authors: Pornillos, O. Deposit date: 2014-06-17 Release date: 2014-12-31 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.996 Å) Cite: Structural basis of HIV-1 capsid recognition by PF74 and CPSF6. Proc.Natl.Acad.Sci.USA, 111, 2014
4O91	Crystal Structure of type II inhibitor NG25 bound to TAK1-TAB1 Descriptor: Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera, N-{4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)benzamide Authors: Gurbani, D, Hunter, J.C, Tan, L, Westover, K.D. Deposit date: 2013-12-31 Release date: 2014-07-30 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.393 Å) Cite: Discovery of Type II Inhibitors of TGF beta-Activated Kinase 1 (TAK1) and Mitogen-Activated Protein Kinase Kinase Kinase Kinase 2 (MAP4K2). J.Med.Chem., 58, 2015
4O6E	Discovery of 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine Inhibitors of Erk2 Descriptor: Mitogen-activated protein kinase 1, N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-2-(tetrahydro-2H-pyran-4-ylamino)-5,8-dihydropyrido[3,4-d]pyrimidine-7(6H)-carboxamide Authors: Yin, J, Wang, W. Deposit date: 2013-12-20 Release date: 2014-05-21 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Discovery of 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine inhibitors of Erk2. Bioorg.Med.Chem.Lett., 24, 2014
4NX4	Re-refinement of CAP-1 HIV-CA complex Descriptor: 1-(3-chloro-4-methylphenyl)-3-{2-[({5-[(dimethylamino)methyl]-2-furyl}methyl)thio]ethyl}urea, CHLORIDE ION, Gag-Pol polyprotein, ... Authors: Lang, P.T, Holton, J.M, Fraser, J.S, Alber, T. Deposit date: 2013-12-08 Release date: 2014-02-26 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Protein structural ensembles are revealed by redefining X-ray electron density noise. Proc.Natl.Acad.Sci.USA, 111, 2014
4NIF	Heterodimeric structure of ERK2 and RSK1 Descriptor: Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Ribosomal protein S6 kinase alpha-1, ... Authors: Gogl, G, Remenyi, A. Deposit date: 2013-11-06 Release date: 2014-11-12 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.15 Å) Cite: Structural assembly of the signaling competent ERK2-RSK1 heterodimeric protein kinase complex Proc.Natl.Acad.Sci.USA, 112, 2015
4N4S	A Double Mutant Rat Erk2 in Complex With a Pyrazolo[3,4-d]pyrimidine Inhibitor Descriptor: 3-[2-(benzyloxy)-8-methylquinolin-6-yl]-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Mitogen-activated protein kinase 1 Authors: Hari, S.B, Maly, D.J, Merritt, E.A. Deposit date: 2013-10-08 Release date: 2014-04-16 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Conformation-Selective ATP-Competitive Inhibitors Control Regulatory Interactions and Noncatalytic Functions of Mitogen-Activated Protein Kinases. Chem.Biol., 21, 2014
4N0S	Complex of ERK2 with caffeic acid Descriptor: CAFFEIC ACID, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... Authors: Kurinov, I, Malakhova, M. Deposit date: 2013-10-02 Release date: 2014-08-27 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.7992 Å) Cite: Caffeic Acid Directly Targets ERK1/2 to Attenuate Solar UV-Induced Skin Carcinogenesis. Cancer Prev Res (Phila), 7, 2014
4MYG	MAPK13, active form Descriptor: Mitogen-activated protein kinase 13 Authors: Yurtsever, Z, Brett, T.J, Scheaffer, S.M. Deposit date: 2013-09-27 Release date: 2015-03-25 Last modified: 2023-12-06 Method: X-RAY DIFFRACTION (2.594 Å) Cite: The crystal structure of phosphorylated MAPK13 reveals common structural features and differences in p38 MAPK family activation. Acta Crystallogr.,Sect.D, 71, 2015

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